# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Na5Fe3F14'
_chemical_formula_sum 'F14 Fe3 Na5'

loop_
_publ_author_name
 'M. Vlasse'
 'F. Menil'
 'C. Moriliere'
 'J. M. Dance'
 'A. Tressaud'
 'J. Portier'
_journal_name_full_name
;
 Journal of Solid State Chemistry
;
_journal_volume 17
_journal_year 1976
_journal_page_first 291
_journal_page_last 298
_publ_Section_title
;
 Etude cristallographique et par effet M{ö}ssbauer du fluorure ferrimagn{\\'e}tique Na$_{5}$Fe$_{3}$F$_{14}γ$
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Na$_{5}$Fe$_{3}$F$_{14}$ (High-temperature) Structure'
_aflow_proto 'A14B3C5_tP44_94_c3g_ad_bg'
_aflow_params 'a,c/a,z_{3},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8}'
_aflow_params_values '7.3451315192,1.41592920353,0.8225,-0.0016,0.7086,-0.0024,0.6281,-0.0287,0.6575,0.6242,0.54,0.75,0.5448,0.7312,0.7348,0.7403'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP44'

_cell_length_a    7.3451315192
_cell_length_b    7.3451315192
_cell_length_c    10.4001862218
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 42 21 2"
_symmetry_Int_Tables_number 94
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x,-y,z
5 -y,-x,-z
6 -y+1/2,x+1/2,z+1/2
7 y+1/2,-x+1/2,z+1/2
8 y,x,-z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 Fe   2 a 0.00000  0.00000  0.00000  1.00000
Na1 Na   2 b 0.00000  0.00000  0.50000  1.00000
F1  F    4 c 0.00000  0.00000  0.82250  1.00000
Fe2 Fe   4 d 0.00000  0.50000  -0.00160 1.00000
F2  F    8 g 0.70860  -0.00240 0.62810  1.00000
F3  F    8 g -0.02870 0.65750  0.62420  1.00000
F4  F    8 g 0.54000  0.75000  0.54480  1.00000
Na2 Na   8 g 0.73120  0.73480  0.74030  1.00000
